2-[(2-methoxyethyl)amino]acetonitrile

• ChemBase ID: 122776
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: N#CCNCCOC
• Canonical SMILES: COCCNCC#N
• InChI: InChI=1S/C5H10N2O/c1-8-5-4-7-3-2-6/h7H,3-5H2,1H3
• InChIKey: CRHLBNPXQYHPPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)amino]acetonitrile
• IUPAC Traditional name: 2-[(2-methoxyethyl)amino]acetonitrile
• Synonyms: 2-((2-methoxyethyl)amino)acetonitrile

Database IDs

• PubChem SID: 162217129
• PubChem CID: 21872496

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.86646384
• LogD (pH = 7.4): -0.7063972
• Log P: -0.7039218
• Molar Refractivity: 30.8008 cm^3
• Polarizability: 12.012002 Å^3
• Polar Surface Area: 45.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true